SCHEMBL18540558

SCHEMBL18540558

CC(=O)CSc1nnc(-c2cc(C(=O)O)ccc2F)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.50
PTGER1 P34995 1/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PTPN1 P18031 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.33
MAPK14 Q16539 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14907775 0.90 GRK6 (0.61) GRK6PTGER1KMT2AALDH1A1EPHX2
SCHEMBL18540573 0.88 GRK6 (0.37) GRK6KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL16171067 0.85 GRK6 (0.50) GRK6KMT2AALDH1A1POLBKDM4E
SCHEMBL18540569 0.79 NPC1 (0.45) GRK6KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL18540512 0.79 GRK6 (0.46) GRK6KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL14907819 0.78 GRK6 (0.46) GRK6KMT2AALDH1A1HPGDPOLB
SCHEMBL18539847 0.75 HSD17B10 (0.34) KMT2AALDH1A1HPGDPOLBKDM4E
SCHEMBL14907779 0.75 GRK6 (0.64) GRK6KMT2AALDH1A1HPGDPOLB
SCHEMBL18540530 0.74 GRK6 (0.45) GRK6KMT2AALDH1A1POLBKDM4E
SCHEMBL18540522 0.73 GRK6 (0.46) GRK6KMT2AALDH1A1POLBKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 GRK6 1/4885PTGER1 490/4885KMT2A 2762/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.